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	hartrees
Energy at 0K	-637.520999
Energy at 298.15K	-637.523274
HF Energy	-637.520999
Nuclear repulsion energy	149.457304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3278	3278	0.11
2	A'	3175	3175	3.18
3	A'	1698	1698	156.75
4	A'	1411	1411	2.08
5	A'	1181	1181	181.96
6	A'	953	953	49.79
7	A'	695	695	45.47
8	A'	428	428	1.12
9	A'	367	367	0.01
10	A"	857	857	57.44
11	A"	722	722	0.12
12	A"	532	532	2.27

Atom	x (Å)	y (Å)
C1	0.000	0.451
C2	-0.996	1.320
F3	1.281	0.823
Cl4	-0.162	-1.258
H5	-0.782	2.380
H6	-2.018	0.979

	C1	C2	F3	Cl4	H5	H6
C1		1.3219	1.3338	1.7169	2.0811	2.0861
C2	1.3219		2.3304	2.7101	1.0805	1.0779
F3	1.3338	2.3304		2.5323	2.5845	3.3028
Cl4	1.7169	2.7101	2.5323		3.6903	2.9071
H5	2.0811	1.0805	2.5845	3.6903		1.8680
H6	2.0861	1.0779	3.3028	2.9071	1.8680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.719	C1	C2	H6	120.415
C2	C1	F3	122.688	C2	C1	Cl4	125.712
F3	C1	Cl4	111.600	H5	C2	H6	119.865

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)

using model chemistry: TPSSh/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.439
2	C	-0.164
3	F	-0.392
4	Cl	-0.119
5	H	0.114
6	H	0.122

	x	y	z	Total
	-1.149	0.672	0.000	1.331
CHELPG
AIM
ESP

	x	y	z
x	6.072	-0.856	0.000
y	-0.856	7.823	0.000
z	0.000	0.000	4.412

<r²>	95.237
(<r²>)^1/2	9.759

All results from a given calculation for C2H2ClF (1-chloro-1-fluoroethylene)

using model chemistry: TPSSh/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)